Name  François-Yves DUPRADEAU
Professional Address
AGIR, EA 4294 & UFR de Pharmacie Phone:  +33-(0)3-2282-7498
Université de Picardie - Jules Verne (UPJV), Fax:       +33-(0)3-2282-7469
1-3, rue des Louvels, e-mail:
80037 Amiens Cedex 1, France Web:


Present Situation

    Since Sept 2006
Professor of organic chemistry at the "UFR de Pharmacie", UPJV, Amiens,
Teaching: Organic chemistry 1st & 2nd years of University, "UFR de Pharmacie", UPJV, Amiens
Research Project: Bioinformatics and force field development: Application to molecular dynamics simulation of modified and chemically engineered biomolecules (peptides, glycoconjugates, oligonucleotides) and bioinorganic complexes.


Professional Appointments

Assistant Professor (Maître de Conférences) at the "UFR de Pharmacie", UPJV, Amiens,
Laboratory Director: Prof J. Rochette,
Research Project: Molecular modeling of proteins and nucleic acids (RESP/ESP charge and force field parameter development, molecular dynamics, free energy determination and homology modeling).
Two years Research Associate at The Scripps Research Institute, La Jolla, CA,
Laboratory Director: Prof D.-A. Case,
Research Project: Study of electrostatic interactions in proteins and nucleic acids.
Post-doctoral Fellow, Laboratoire des Bio-Molécules, CNRS, Université d'Orsay, Paris XI, France),
Adviser: Prof J.-M. Beau,
Research Project: Study of a new method relevant to the reduction of azido-oligosaccharides based on a samarium diiode-water system.
16 months Post-doctoral Fellow (as part of my military obligation) in the Department of Synthetic Organic Chemistry at the "Bio-Membrane Institute" (University of Washington, Seattle, USA),
Advisers: Prof S.-i. Hakomori & Dr T. Toyokuni,
Research Project: Development of synthetic carbohydrate vaccines based on the tumor-associated Tn antigen (GalNAc-α-Ser/Thr).



Habilitation  Thesis (Université de Picardie Jules Verne, Amiens),
Laboratory Director: Prof J. Rochette
Thesis title: Total synthesis and structural study of bio-molecules.
Ph.D.  Thesis (Université d'Orsay, Paris XI),
Advisers: Prof J.-M. Beau & Dr. J. Prandi
Thesis title: Synthesis of rare sugars: application to carbohydrate fragments of Esperamicins.
D.E.A. de Chimie Organique (M. Sc. in Organic Chemistry) with honors, Université d'Orsay, Paris XI.
Advisers: Prof J.-M. Beau & Dr. J. Prandi
Maîtrise (4th year of University, B. Sc., Biochemistry major), Université d'Orléans, France.
Licence (3rd year of University, Biochemistry major), Université d'Orléans.
D.E.U.G. B (1st two years of University, Biology major), Université d'Orléans.
Baccalauréat D (High School Diploma, Sciences), Lycée Pothier, Orléans.


Professional skills

- Empirical force field development and bioinformatics.
- Molecular mechanics, molecular dynamics and quantum chemistry (DFT & WFT).
- Linux administration and knowledge in PERL, Shell, PHP, MySQL and HTML.
- Structure determination by using circular dichroism and N.M.R.
- Total synthesis: peptide, sugar, organic and asymmetric synthesis (former interests).
- Foreign language: English.


- Organic chemistry (1st and 2nd years of university) at the "UFR de pharmacie", UPJV, Amiens.
- Molecular modeling (3rd year of university) at the "UFR de pharmacie", UPJV, Amiens.

Outside interests

Judo (black belt, 4th dan) and jogging.


Representative publications

C. Cézard, X. Trivelli, F. Aubry, F. Djedaini-Pilard & F.-Y. Dupradeau, Molecular dynamics studies of native and substituted cyclodextrins in different media: 1. Charge derivation and force field performances, Phys. Chem. Chem. Phys. 2011, 13, 15103-15121.

E. Vanquelef, S. Simon, G. Marquant, E. Garcia, G. Klimerak, J. C. Delepine, P. Cieplak & F.-Y. Dupradeau, R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments, Nucl. Acids Res. (Web server issue) 2011, 39, W511-W517.

F.-Y. Dupradeau, A. Pigache, T. Zaffran, C. Savineau, R. Lelong, N. Grivel, D. Lelong, W. Rosanski & P. Cieplak, The R.E.D. tools: Advances in RESP and ESP charge derivation and force field library building, Phys. Chem. Chem. Phys. 2010, 12, 7821-7839.

F.-Y. Dupradeau, C. Cézard, R. Lelong, E. Stanislawiak, J. Pecher, J. C. Delepine & P. Cieplak, R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries, Nucl. Acids Res. (Database issue) 2008, 36, D360-D367.

F.-Y. Dupradeau, D. A. Case, C. Yu, R. Jimenez & F. Romesberg, Differential Solvation and Tautomer Stability of a Model Base Pair within the Minor and Major Grooves of DNA, J. Am. Chem. Soc. 2005, 127, 15612-15617.

Full list of publications at


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Last update of this page: June, 2019